Compressibility and high-pressure phases of metal oxides

  • Gerward, Leif (Project Manager)
  • Jiang, Jianzhong (Project Participant)
  • Olsen, J. Staun (Project Participant)
  • Recio, J. M. (Project Participant)

Project Details

Description

There is a current interest in the derivation of the parameters that define the equation of state (EOS) of polymorphs that are unstable under room conditions [1]. We report the results of a combined experimental and theoretical investigation on the stability and the volume behavior under hydrostatic pressure of the rocksalt (B 1) phase of ZnO. Synchrotron-radiation x-ray powder-diffraction data were obtained from 0 to 30 GPa. Static simulations of the ZnO B 1 phase were performed using the ab initio pertubed ion method and the local and nonlocal approximations to the density-functional theory. Nanostructured ZnO will be compared with bulk material.
StatusActive
Effective start/end date01/01/1998 → …

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